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fix easyconfigs for recent versions of QuantumESPRESSO #20070

Merged
merged 22 commits into from
Jul 23, 2024
Merged

fix easyconfigs for recent versions of QuantumESPRESSO #20070

merged 22 commits into from
Jul 23, 2024

Commits on Mar 8, 2024

  1. Correct configuration of QuantumESPRESSO for 6.7/7.2

    Alan O'Cais committed Mar 8, 2024
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  2. Update QuantumESPRESSO-7.2-foss-2022b.eb

    @ocaisa
    ocaisa authored Mar 8, 2024
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  3. Update QuantumESPRESSO-7.2-foss-2022b.eb

    @ocaisa
    ocaisa authored Mar 8, 2024
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Commits on Mar 11, 2024

  1. Switching on OpenMP causes may test failures for QE 7.2 and Intel

    @ocaisa
    ocaisa authored Mar 11, 2024
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  2. Update QuantumESPRESSO-7.2-intel-2022b.eb

    @ocaisa
    ocaisa authored Mar 11, 2024
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Commits on Mar 18, 2024

  1. Allow for some failing tests in old easyconfigs

    @ocaisa
    ocaisa committed Mar 18, 2024
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Commits on Mar 19, 2024

  1. Update QuantumESPRESSO-6.7-foss-2021a.eb

    @ocaisa
    ocaisa authored Mar 19, 2024
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  2. Update QuantumESPRESSO-6.7-intel-2021a.eb

    @ocaisa
    ocaisa authored Mar 19, 2024
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Commits on Mar 20, 2024

  1. Update easybuild/easyconfigs/q/QuantumESPRESSO/QuantumESPRESSO-7.2-fo… 

    …ss-2022b.eb

Co-authored-by: Mikael Öhman <[email protected]>
    @ocaisa @Micket
    ocaisa and Micket authored Mar 20, 2024
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  2. Update easybuild/easyconfigs/q/QuantumESPRESSO/QuantumESPRESSO-7.2-fo… 

    …ss-2023a.eb

Co-authored-by: Mikael Öhman <[email protected]>
    @ocaisa @Micket
    ocaisa and Micket authored Mar 20, 2024
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  3. Update easybuild/easyconfigs/q/QuantumESPRESSO/QuantumESPRESSO-7.2-in… 

    …tel-2022b.eb

Co-authored-by: Mikael Öhman <[email protected]>
    @ocaisa @Micket
    ocaisa and Micket authored Mar 20, 2024
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Commits on Apr 5, 2024

  1. foss build of QE 7.3 has seen a single failure in test suites on some… 

    … architectures
    @ocaisa
    ocaisa committed Apr 5, 2024
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Commits on Apr 14, 2024

  1. Merge branch 'develop' into 20240308101931_new_pr_QuantumESPRESSO67

    @ocaisa
    ocaisa committed Apr 14, 2024
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  2. Merge remote-tracking branch 'origin/20240405143203_new_pr_QuantumESP… 

    …RESSO73' into 20240308101931_new_pr_QuantumESPRESSO67
    @ocaisa
    ocaisa committed Apr 14, 2024
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  3. Move all legacy QuantumESPRESSO easyconfigs to the legacy easyblock

    @ocaisa
    ocaisa committed Apr 14, 2024
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Commits on Apr 17, 2024

  1. Update QuantumESPRESSO-7.0-intel-2021b.eb

    @ocaisa
    ocaisa authored Apr 17, 2024
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Commits on Jun 13, 2024

  1. Easyblock update means most changes are no longer required

    @ocaisa
    ocaisa committed Jun 13, 2024
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  2. Merge branch '20240308101931_new_pr_QuantumESPRESSO67' of github.com:… 

    …ocaisa/easybuild-easyconfigs into 20240308101931_new_pr_QuantumESPRESSO67
    @ocaisa
    ocaisa committed Jun 13, 2024
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Commits on Jun 14, 2024

  1. Update QuantumESPRESSO-7.3-foss-2023a.eb

    @ocaisa
    ocaisa authored Jun 14, 2024
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  2. QuantumESPRESSO-7.0-intel-2021b.eb totally broken 

    It's making this PR look like there are problems where in reality this was always broken. Excluding it to get this over the line
    @ocaisa
    ocaisa authored Jun 14, 2024
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Commits on Jul 22, 2024

  1. Merge branch 'develop' into 20240308101931_new_pr_QuantumESPRESSO67

    @ocaisa
    ocaisa committed Jul 22, 2024
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  2. Don't run test suite for outdated cases that are not easily solved

    @ocaisa
    ocaisa committed Jul 22, 2024
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